Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-0.5740 5.5530 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2675 4.5195 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3962 3.6966 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0498 2.3718 0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0559 1.3304 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3792 1.5520 2.1562 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 -0.0357 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 -0.4770 1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9594 -1.8421 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3549 -2.8452 1.5058 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0535 -2.0810 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5565 -3.3338 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9859 -4.1568 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2366 -4.5558 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9231 -0.9042 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9897 -0.2902 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5366 0.7477 0.3105 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 -0.8653 -1.2579 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3551 -0.3393 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6736 -0.2746 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2933 0.8813 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6362 -0.0116 -0.8184 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1710 5.7792 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6268 6.1113 -1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8886 4.2418 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 4.0912 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 3.7113 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2781 0.2892 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1760 -0.4103 2.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4191 -3.1398 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8398 -3.9372 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2934 -4.4364 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9868 -4.2930 0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6089 -5.1742 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7473 -1.9552 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2705 -0.8152 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -1.0879 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1237 0.6712 -2.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1145 -1.1698 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2387 0.8937 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9152 1.8333 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 0.1572 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers